3,5-di-C-glucosyl-2,4,4',6-tetrahydroxydibenzoylmethane

Chemical Formula:

C₂₇H₃₁O₁₆

Molecular Weight:

611.532 Daltons

Monoisotopic Mass:

612.1690349808 Daltons

SMILES:

C1(C=C(O)C=CC=1C(=O)CC(=O)C4(=C(O)C(C2(C(C(C(O)C(O2)CO)O)O))=C([O-])C(C3(C(C(C(O)C(O3)CO)O)O))=C(O)4))

InChI:

1S/C27H32O16/c28-6-12-17(33)22(38)24(40)26(42-12)15-19(35)14(11(32)5-10(31)8-1-3-9(30)4-2-8)20(36)16(21(15)37)27-25(41)23(39)18(34)13(7-29)43-27/h1-4,12-13,17-18,22-30,33-41H,5-7H2/p-1/t12-,13-,17-,18-,22+,23+,24-,25-,26+,27+/m1/s1

InChIKey:

LNMNCAAOLZJCPN-DBGLWBBTSA-M

Databases

MetaCyc: CPD-20023

PubChem (CID): 129320407